5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine

C8H9BrCl2N2 — CID 103584101

IUPAC5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
SMILESCC(CCl)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C8H9BrCl2N2/c1-5(3-10)13-8-7(11)2-6(9)4-12-8/h2,4-5H,3H2,1H3,(H,12,13)
InChIKeyHELXOLXWOUAWAG-UHFFFAOYSA-N
MW283.98 g/mol
LogP3.54
Rot. Bonds3

About 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine

5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine (PubChem CID 103584101) has the molecular formula C8H9BrCl2N2 and a molecular weight of 283.98 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
PubChem CID103584101
Molecular FormulaC8H9BrCl2N2
Molecular Weight283.98 g/mol
Exact Mass281.93
IUPAC Name5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
SMILESCC(CCl)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C8H9BrCl2N2/c1-5(3-10)13-8-7(11)2-6(9)4-12-8/h2,4-5H,3H2,1H3,(H,12,13)
InChIKeyHELXOLXWOUAWAG-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.98
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
5-bromo-3-chloro-N-(1-ethylsulfanylpropan-2-yl)pyridin-2-amine
CID 103582641
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
CID 103582511
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 103580433
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 103582611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine (CID 103584101) is 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine is CC(CCl)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine?
The InChIKey is HELXOLXWOUAWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrCl2N2/c1-5(3-10)13-8-7(11)2-6(9)4-12-8/h2,4-5H,3H2,1H3,(H,12,13).
What are the key properties of 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine has a molecular weight of 283.98 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103584101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).